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CAS 550378-39-7 (S)-3-Amino-1-carbobenzoxypyrrolidine Hydrochloride molecular structure lightbox
CAS RN: 550378-39-7

(S)-3-Amino-1-carbobenzoxypyrrolidine Hydrochloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 10g In stock Tianjin Inquiry
Batchno.20260514 1g In stock Tianjin, Chengdu Inquiry
Batchno.20251106 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250630 5g In stock Tianjin Inquiry
  • Product code: SSC-162885
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 550378-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

550378-39-7 / benzyl (3S)-3-aminopyrrolidine-1-carboxylate;hydrochloride

Standard CAS: 550378-39-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
550378-39-7
Multi CAS
Yes
Molecular Formula
C12H17CLN2O2
Molecular Weight
256.730000
Exact Mass
256.097856
InChI
InChI=1S/C12H16N2O2.ClH/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H/t11-;/m0./s1
InChIKey
QNQVBYGRFHOBNO-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.04
TPSA
55.56

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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